Table 1 Crystallography statistics for HTC1.
From: Determining crystal structures through crowdsourcing and coursework
SeMet HTC1 (top pruned Foldit) | Native HTC1 | |
|---|---|---|
Data collection | ||
Wavelength (Å) | 0.9876 | 0.97851 |
Space group | P43212 | P43212 |
Cell dimensions | ||
a, b, c (Å) | 63.3, 63.3, 117.8 | 62.5,62.5,117.6 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 50–1.95 (1.98–1.95) | 42.81–1.83 (1.89–1.83) |
Rmerge (%) | 0.077 (0.940) | 0.074 (0.683) |
I/σI | 59.5 (1.8) | 12.7 (2.0) |
Completeness (%) | 99 (89) | 100 (100) |
Redundancy | 12.4 (7.5) | 7.8 (7.7) |
Figure of merit | 0.31 | |
CC1/2 | 0.998 (0.916) | 0.998 (0.873) |
Refinement | ||
Resolution (Å) | 1.95 | 1.83 |
No. of reflections | 18,107 | 21,161 |
Rwork/Rfree | 0.26/0.28 | 0.20/0.25 |
No. of non-hydrogen atoms | 1,343 | 1,663 |
Protein | 1,305 | 1,513 |
Ligand/ion | 0 | 12 |
Water | 38 | 138 |
Average B-factors | 53.8 | 48.8 |
Protein | 53.8 | 49.0 |
Ligand/ion | 51.9 | |
Water | 54.3 | 45.7 |
R.m.s.d’s | ||
Bond lengths (Å) | 0.008 | 0.009 |
Bond angles (°) | 1.0 | 0.89 |
